Crystallography Open Database
- COD Home
- Accessing COD Data
- Add Your Data
- Documentation
Information card for entry 7160650
Preview
| Coordinates | 7160650.cif |
|---|---|
| Original paper (by DOI) | HTML |
| Formula | C11 H13 Cl N4 Se |
|---|---|
| Calculated formula | C11 H13 Cl N4 Se |
| Title of publication | The direct synthesis of 5-selenotetrazoles via electrochemical three-component reaction |
| Authors of publication | Wang, Ruizong; Song, Bin; Zhao, Feng Feng; Gao, Pengxiang; Hu, Bingcheng; zhang, chong |
| Journal of publication | Organic & Biomolecular Chemistry |
| Year of publication | 2025 |
| a | 7.4939 ± 0.0002 Å |
| b | 12.5591 ± 0.0006 Å |
| c | 14.7813 ± 0.0006 Å |
| α | 90° |
| β | 103.142 ± 0.002° |
| γ | 90° |
| Cell volume | 1354.73 ± 0.09 Å3 |
| Cell temperature | 193 K |
| Ambient diffraction temperature | 193 K |
| Number of distinct elements | 5 |
| Space group number | 14 |
| Hermann-Mauguin space group symbol | P 1 21/c 1 |
| Hall space group symbol | -P 2ybc |
| Residual factor for all reflections | 0.0966 |
| Residual factor for significantly intense reflections | 0.0777 |
| Weighted residual factors for significantly intense reflections | 0.1865 |
| Weighted residual factors for all reflections included in the refinement | 0.1997 |
| Goodness-of-fit parameter for all reflections included in the refinement | 1.042 |
| Diffraction radiation wavelength | 1.54178 Å |
| Diffraction radiation type | CuKα |
| Has coordinates | Yes |
| Has disorder | Yes |
| Has Fobs | No |
| Revision | Date | Message | Files |
|---|---|---|---|
| 301375 (current) | 2025-07-26 | cif/ Adding structures of 7160650 via cif-deposit CGI script. |
7160650.cif |
All data in the COD and the database itself are dedicated to the
public domain and licensed under the
CC0
License
.
Users of the data should acknowledge the original authors of the
structural data.